PUBCHEM-ZINC05733454 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.5920 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 4.1860 1.7200 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 5.9260 1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 6.3740 0.1900 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 7.6750 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 8.5790 1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 8.0590 2.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 6.7410 2.4820 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 9.1440 3.1500 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 10.2640 2.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 9.9300 1.1130 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 9.1070 4.6140 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7300 8.2760 4.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 8.9870 5.1630 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5480 7.9510 5.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 9.8630 6.4350 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5350 9.2610 7.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 10.4090 6.5050 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7460 9.7790 7.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 10.3560 5.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 11.8510 7.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 12.2970 7.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2490 10.9340 6.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 9.4890 4.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 8.1330 -1.3780 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -2.1590 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1820 -2.7820 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -2.7540 -0.0340 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -0.4990 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 3.9710 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 3.9460 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 11.2780 2.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 12.4920 6.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 11.8970 7.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 13.2050 7.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 11.5160 7.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1820 9.4380 4.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 7.5000 -2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 9.0860 -1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 26 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 30 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 29 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 31 47 1 0 0 0 0 31 48 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 M CHG 1 32 1 M CHG 1 34 -1 M END